Information card for entry 4333590

Structure parameters

• Formula: C62 H57 F12 Fe2 N15 O12 S4
• Calculated formula: C60 H54 F12 Fe2 N14 O12 S4
• Title of publication: Syntheses and Electronic Structure of Bimetallic Complexes Containing a Flexible Redox-Active Bridging Ligand
• Authors of publication: Stacey Lindsay; Siu K. Lo; Oliver R. Maguire; Eckhard Bill; Michael R. Probert; Stephen Sproules; Corinna R. Hess
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 898 - 909
• a: 10.6568 ± 0.0002 Å
• b: 12.915 ± 0.0002 Å
• c: 15.01 ± 0.0003 Å
• α: 106.98 ± 0.001°
• β: 109.448 ± 0.001°
• γ: 97.5 ± 0.001°
• Cell volume: 1802.68 ± 0.06 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0555
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.155
• Weighted residual factors for all reflections included in the refinement: 0.1591
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54188 Å
• Diffraction radiation type: CuKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No